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Developing 3D Anisotropic Mechanics Developing 3D Anisotropic Mechanics Model of Powder Compaction Model of Powder Compaction Wenhai Wang Advisor: Dr. Antonios Zavaliangos Department of Materials Science & Engineering 12-10-2004 1


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Developing 3D Anisotropic Mechanics Developing 3D Anisotropic Mechanics Model of Powder Compaction Model of Powder Compaction Wenhai Wang

Advisor: Dr. Antonios Zavaliangos Department of Materials Science & Engineering

12-10-2004

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Outline Outline

  • 1. INTRODUCTION

Powder compaction Literature review

  • 2. PHENOMENOLOGICAL MODELS AND VUMAT

Phenomenological models Introduction of VUMAT Results and discussion

  • 3. ANISOTROPY IN POWDER COMPACTION

Anisotropy in powder compaction Anisotropic models

  • 4. CONCLUSIONS AND FUTURE WORK
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Powder Compaction Powder Compaction

Metal Industry Metal Industry Pharmaceutical Industry Pharmaceutical Industry Food Industry Food Industry Chemical Industry Chemical Industry Ceramics Industry Ceramics Industry

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Research Motivation Research Motivation

To understand the physics of compaction mechanisms. To develop robust and rigorous mathematical models

  • f compaction.

To Provide via models and FEM a design and

  • ptimization tool for the engineers.

How do we get there? How the product performs?

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Length Scales & Models Length Scales & Models

10 mm 50 µm

Meso Meso-

  • scopic

scopic Macroscopic Macroscopic Microscopic Microscopic

Network Network Models Models Micromechanical Micromechanical Models Models

Phenomenological Phenomenological Models Models

MPFEM MPFEM Atomistic Atomistic Simulation Simulation

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Past Work Past Work

References: 19-20

Look into microscopic level, the local anisotropy is considered and macro- behavior is deduced.

Microscopic

References: 11-18

Study the particle collection. (statistics information are inherently considered)

Meso-scopic

References: 1-10

The powder is considered as a continuum.

Macroscopic

1. H.A. Kuhn, C.L. Downey, Int. J. Powder Metall. 7 (1) (1971) 15-25 2. R.J.Green, Int. J. Mech. Sci. 14 (1972) 215-224 3.

  • S. Shima, M. Oyane, Int. J. Mech. Sci. 18 (1976)

4. D.C. Drucker, W. Prager Q. Appl. Math. 10 (1952) 157-175 5. A.N. Schofield, C.P. Wroth, McGrawHill, London, 1968 6. F.L. DiMaggio, I.S. Sandler, J. Eng. Mech. Div., Proc. – ASCE 96 (1971) 935-950 7. PM Modnet Computer Modelling Group, Powder Metall. 42 (1999) 301- 311 8. I.C. Sinka, J.C. Cunningham, A. Zavaliangos, Powder Tech. 133 (2003) 33-43 9. Sofronis P, Memeeking RM, Mechanics of Materials 18 (1): 55-68 May 1994 10. A, Zavaliangos L, Anand J. of the Mech. and Phy. Of solid 41 (6): 1087- 1118 JUN 1993

  • 11. N.A. Fleck, J. Mech. Phys. Solids 43 (1995) 1409-1431

Selected References:

  • 12. A.L. Gurson J. Eng. Mater. Tech. (Trans. ASME) (1977 January)

2-15

  • 13. B. Storakersa, N.A. Fleck, R.M. McMeeking, J. Mech. Phy. of

Solids 47 (1999) 785-815 14. M.Kailasam, N. Aravas, P. Ponte Castaneda CMES, Vol. 1, pp. 105-118 2000 15.

  • N. Aravas a, P. Ponte Castaneda, Comput. Methods Appl. Mech.
  • Engrg. 193 (2004) 3767–3805

16. P.R. Heyliger & R. M. McMeeking, J. Mech. Phy. Of Solid 49 (2001) 2031-2054 17.

  • P. Redanz, N. A. Fleck, Acta mater. 49 (2001) 4325–4335

18. C.L. Martin, D. Bouvard, Acta Mate. 51 (2003) 373–386 19. Francisco X. –Castilloa S. and Anwarb J., Heyes D.M. J. of

  • Chem. PHy. Vol 18(10) Mar. 8 2003
  • 20. A.T. Procopio and A. Zavaliangos, submitted to J. Mech. Phy.
  • f Solids
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Yield is pressure dependant Single state variable – Relative Density Model parameters can be calibrated by experiments They can be implemented in FEM to simulate complex shape compaction operations.

Phenomenological Models Phenomenological Models

1 ) ( ) ( ) , , (

2 2

= − + = Φ p D B D A D p σ σ

σ

equivalent stress P hydrostatic pressure D relative density

Ellipse Model

tensile compressive

p

σ

Relative density increase

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Examples of Phenomenological Models Examples of Phenomenological Models

= Experimental Measurements

Classical Classical elastoplasticity elastoplasticity Soil mechanics Soil mechanics

“Kuhn-Shima” model (1970’s)

1 2 4 3

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Which Phenomenological Model to Use? Which Phenomenological Model to Use?

  • Cap region is “OK” for these models
  • Shear ( ) region is not well captured
  • Drucker-Prager Cap model is the

best but needs more experiments

σ

20 40 60 80 100 120 140 160 180 20 40 60 80 100 120 140 160 180

Hydrostatic Stress, MPa Effective Stress, MPa

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Phenomenological Models and FE Phenomenological Models and FE Simulation Simulation

  • W. Wang, J. Cunningham and A. Zavaliangos, PM2Tec, Las Vegas, Nevada, June 8-12, 2003

I.C. Sinka, J.C. Cunningham and A. Zavaliangos Powder Technology 133 (2003) 33– 43 PM Modnet Computer Modeling Group, Powder Metallurgy, Vol. 42, 1999, 301-311

Numerical implementation of phenomenological models in FE program to solve engineering problems. ABAQUS is one of the commercial finite element program software. A lot of applications can be found in literature.

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Phenomenological Model Success Phenomenological Model Success

Apply Drucker-Prager Cap model (DPC) into ABAQUS/Standard simulation (All parameters are taken as function of RD); Model predicts the inversion of radial variation of relative density and hardness (lubricated V.S. unlubricated die).

I.C. Sinka, J.C. Cunningham and A. Zavaliangos Powder Technology 133 (2003) 33– 43

Un Un-

  • lubricated Die

lubricated Die Lubricated Die Lubricated Die

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Current DPC model in ABAQUS/Standard is OK but convergence is a problem. ABAQUS/Explicit does not have flexible enough DPC model but it can address more complex geometry problems. To this end, a versatile version DPC model (All parameters are taken as function of RD) was implemented in VUMAT of ABAQUS/Explicit.

Why Do We Need VUMAT? Why Do We Need VUMAT?

ABAQUS

Integrating

) ( ), ( ), ( t F t V t X

i i i

) ( t t X i ∆ +

i

ε ∆

) ( t t

i

∆ + σ VUMAT

Solving equations

  • f mechanics

) (t

i

σ

) ( t t Fi ∆ +

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Unit Cell Comparison Against ABAQUS/Standard Unit Cell Comparison Against ABAQUS/Standard

Simple compression Constraint compression Hydrostatic compression Simple tensile Constraint tensile Hydrostatic tensile

Loading conditions:

Porosity

0.69 0.7 0.71 0.72 0.73 0.74 0.75 0.01 0.02 0.03 0.04 0.05 0.06 Time (s)

s11/s22

20000 40000 60000 80000 100000 120000 140000 0.01 0.02 0.03 0.04 0.05 0.06 Time (s)

Material: Avicel

ABAQUS /Standard VUMAT

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14 Simple compression Constraint compression Hydrostatic compression Simple tensile Constraint tensile Hydrostatic tensile

Loading conditions:

S22

  • 120000
  • 100000
  • 80000
  • 60000
  • 40000
  • 20000

20000 0.05 0.1 0.15 0.2 Time (s)

Porosity

0.69 0.71 0.73 0.75 0.05 0.1 0.15 0.2 Time (s)

S11

10000 20000 30000 40000 50000 60000 70000 80000 90000 0.05 0.1 0.15 0.2 Time (s)

Unit Cell Comparison Against ABAQUS/Standard Unit Cell Comparison Against ABAQUS/Standard

Material: Avicel

ABAQUS /Standard VUMAT

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Unit Cell Comparison Against ABAQUS/Standard Unit Cell Comparison Against ABAQUS/Standard

Simple compression Constraint compression Hydrostatic compression Simple tensile Constraint tensile Hydrostatic tensile

Loading conditions:

Porosity

0.62 0.64 0.66 0.68 0.7

  • 0.2
  • 0.15
  • 0.1
  • 0.05

Strain

S11

  • 2500000
  • 2000000
  • 1500000
  • 1000000
  • 500000
  • 0.2
  • 0.15
  • 0.1
  • 0.05

Strain

S22

  • 800000
  • 700000
  • 600000
  • 500000
  • 400000
  • 300000
  • 200000
  • 100000
  • 0.2
  • 0.15
  • 0.1
  • 0.05

Strain

The origin of the difference is the Elastic modulus. It appears that ABAQUS/Standard does not update the modulus. Simulations with higher modulus show no difference. ABAQUS /Standard VUMAT

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Convex Tablet Compaction Convex Tablet Compaction

0.0125 Porosity

Unlubricated Lubricated ABAQUS/Explicit results (run with VUMAT) show good agreement with experimental results!

0.25 0.30 0.35 0.40 0.45 0.50 0.002 0.004 0.006 0.008 0.01 0.012 0.014

radius porosity

  • -- EXPLICIT
  • -- Experiment

0.25 0.30 0.35 0.40 0.45 0.50 0.55 0.60 0.002 0.004 0.006 0.008 0.01 0.012 0.014

radius porosity

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Density distribution is well predicted!

Drucker Drucker-

  • Prager Cap Model

Prager Cap Model

How about the strength & modes of fracture prediction?

σ

p

Shear failure Region Cap Region

Non-associated plasticity Associated plasticity Failure+Dilation Densification

DPC model shows the different densification trend when the stress hit different yield surface regions. (Shear failure region v.s. Cap region)

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Tablet Diametrical Compaction Tablet Diametrical Compaction

Diametrical Compaction Tablets compacted with different die lubrication show different fracture behaviors. Die Compaction

Unlubricated Lubricated

Diametrical compression tests are carried out in the pharmaceutical industry to test the “hardness” of tablets.

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3 3-

  • D FE Model of Tablet Diametrical

D FE Model of Tablet Diametrical Compaction Compaction

Final Relative density distribution (2-D) Initial Relative density distribution (3-D)

Die Compaction Diametrical Compaction Mapping Mapping

Unlubricated Lubricated

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Tablet Diametrical Compression Tablet Diametrical Compression

  • Unlubricated

Unlubricated

Low density in the middle somewhat indicates the initial fracture development from the center.

Before failure After failure

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Tablet Diametrical Compression Tablet Diametrical Compression

  • Lubricated

Lubricated

Convergence problems may happen when larger time step was selected.

Before failure After failure

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Force Force-

  • displacement

displacement Comparing with experimental data Comparing with experimental data

Comparing with experiment results, Simulation results show good trends.

Force Displacement

20 40 60 80 100 120 140 0.00 0.20 0.40 0.60 0.80 1.00 1.20

Displacement (mm) Force (N)

Unlubricated Lubricated

20 40 60 80 100 120 140 160 180 200 0.2 0.4 0.6 0.8 1 1.2 Distance, mm Force, N

lubricated die unlubricated die 0.374 0.380 0.416 0.464 0.505 0.560 0.590 0.422 0.433 0.472 0.510 0.559 0.612

Simulation Experiment

0.59 0.59

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Phenomenological Model Limits Phenomenological Model Limits

Die Compaction Isostatic Compaction Triaxial Compaction Σ Τ Σ Τ Σ Τ Σ=78 ;Τ∼0.5 Σ Σ=Τ=60 ;Τ=12 Σ=80

RD

σf

85% 85% 85% 20 Ksi 25 Ksi 55 Ksi

R.M. Koerner Ceramic Bulletin Vol. 52, No. 7 1973

  • Stress path affect final

property.

  • Relative density is not

the only state variable.

Strength in Die Strength in Die ≠

≠ Isostatic

Isostatic ≠

≠ Triaxial Compaction

Triaxial Compaction

σ

p

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Anisotropy In Powder Compaction Anisotropy In Powder Compaction

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Anisotropy of Powder Compacts Anisotropy of Powder Compacts

  • Path Dependence

Path Dependence

Data courtesy of Steve Galen

Loading History Triaxial Testing SR=Stress Ratio=

axial radial

σ σ

Dibasic Calcium Phosphate (A-Tab) d = 180 µm

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Strength Anisotropy of Powder Compacts Strength Anisotropy of Powder Compacts

Normal Strength SN Transverse Strength ST

SN ST

Data courtesy of Steve Galen

The same sample after die compaction shows the different strength in transverse direction and normal direction. Anisotropy!

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State Variables State Variables

p

σ

Drucker-Prager Cap

...) , , ( RD P σ Φ

State variables:

  • Relative density

Relative density

“B B” ” tensor tensor

“s s” ” tensor tensor

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Anisotropic Mechanics Models

  • M. Kailasam
  • N. Aravas

P.Ponte Castaneda

  • N. A. Fleck

Continuum model with isolated pores; Takes into account the evolution of the porosity and the development of anisotropy due to change in the shape and the orientation of the voids during deformation. Micromechanics model with discrete particles; An internal state variable (B tensor) is used to describe the evolution of anisotropy under general loading. Anisotropic constitutive model Anisotropic constitutive model Micromechanics model Micromechanics model

N.A. Fleck, J. Mech. Phys. Solids 43 (1995) 1409-1431 M.Kailasam, N. Aravas, P. Ponte Castaneda CMES, Vol. 1, pp. 105-118 2000

  • N. Aravas a, P. Ponte Castaneda, Comput. Methods Appl. Mech. Engrg. 193 (2004) 3767–3805
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Fleck Fleck’ ’s Model s Model

N.A. Fleck, J. Mech. Phys. Solids 43 (1995) 1409-1431

  • B. Storakersa, N.A. Fleck, R.M. McMeeking, J. Mech. Phy. of Solids 47 (1999) 785-815

Assumes affine motion.

Macro plastic strain Micro velocity field

ij

E &

ij

V

Goal: Find the yield locus in macroscopic level.

j ij i

n E R v & 2 =

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Fleck Fleck’ ’s Model (cont.) s Model (cont.)

Anisotropic factor ----“B” Tensor : (i) The distribution of contact area; (ii) The number of contacts per unit surface area of particle; (iii)The hardness of each contact.

] cos ) sin (sin ) cos (sin [ ) 1 ( 4 1

2 2 2 zz yy xx zz yy xx j i ij

E E E E E E D D D n n B & & & & & & + + + + − − = φ θ φ θ φ

Hydrostatic Compaction:

) 1 ( 12 1 D D D n n B

j i ij

− − =

Constant! Die Compaction:

φ

2 0 cos

) 1 ( 4 1 D D D n n B

j i ij

− − =

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Obtaining The Yield Surface Obtaining The Yield Surface

2-D Axisymmetric Put a perturbation, calculate the differential

E W & & ∆ ∆ = ∑

Macroscopic stress may be calculated by differentiation of plastic dissipation with respect to plastic strain rate .

ij

Σ

W &

ij

E &

ij ij

E W & & ∂ ∂ = Σ

  • 2
  • 1.5
  • 1
  • 0.5

0.5 1 1.5 2

  • 1.5
  • 1
  • 0.5

0.5 1 1.5

Initial loading point

m

XX ZZ

E E H 2 + = & & ) ( 3 2

XX ZZ

E E E & & & − =

Plastic strain rate

H W

m

& & ∂ ∂ = ∑ E W & & ∂ ∂ = ∑

Macroscopic stress

Die Compaction Hydrostatic Compaction

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Critique of Fleck Critique of Fleck’ ’s Model s Model

Predicts path dependence but exaggerates the effect Major “problems” :

  • -Affine motion assumption shown to be incorrect by DEM,

leads to overestimate of loads;

  • -Cannot address triaxialities less than die compaction (can

not be implemented into FEM)

Predicts “wrong” anisotropy in diametrical compression

which is constant ratio and does not vary with relative density. However, experiments show opposite trend and vary with relative density.

1 < =

Normal Transverse

ratio σ σ

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Anisotropic constitutive model Anisotropic constitutive model (P&A Model) (P&A Model)

  • N. Aravas a, P. Ponte Castaneda, Comput. Methods Appl. Mech. Engrg. 193 (2004) 3767–3805
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Representative Volume Elements Representative Volume Elements

P

P is a material point surrounded by a material neighborhood. (macro element)

E1 E2 E3 Cracks Grain boundaries Voids Inclusions

Magnified

Possible microstate of an RVE for material neighborhood of P

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Porous Material Representation Porous Material Representation

The local state is represented by the average shapes and orientations of voids All the voids initially have the same shape and orientation and distributed randomly in a elastic-plastic matrix Under finite plastic deformation, the voids remain ellipsoidal but change their volume, shape and orientation with the “local” macroscopic deformation The size of the voids is assumed to be much smaller than the scale of variation of the macroscopic fields

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Description of the Constitutive Model Description of the Constitutive Model

  • 1. Average rate-of-deformation tensor
  • 2. Elastic part

p e

D D D + =

~ σ M D e =

is the effective elastic compliance tensor

M ~

is the spin of the voids (antisymmetric tensor)

ω

f is porosity and Q is a microstructure tensor

) ( s I L Q − =

Q /s depend on the shape and orientation of the ellipsoidal voids.

) , , , , , (

) 3 ( ) 2 ( ) 1 ( 2 1

n n n w w f s =

X1 X2 X3

a b c

b c w a c w / ; /

1 1

= =

ω σ σ ω σ σ + − = &

1

1 ~

− + = Q f f M M

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The plastic behavior described by the macroscopic potential is fully compressible. Φ ~

Yield Condition and Plastic Flow Yield Condition and Plastic Flow

2

) ( 1 ) ) ( ~ ( ) , ( ~

y

f s m s σ σ σ σ − − ⋅ = Φ

The effective yield function can be written:

y

σ

is the yield strength in tension of the matrix material.

m ~

corresponds to an appropriately normalized effective viscous compliance tensor.

  • 3. Plastic part

N D p Λ = & σ ∂ Φ ∂ = N Λ &

is the plastic multiplier, larger than zero.

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Evolution of the Microstructure Evolution of the Microstructure

When the porous material deforms, the state variables evolve and, in turn, influence the response of the material.

Porosity

) , ( ) 1 ( ) 1 ( s h N f D f f

kk p kk

σ Λ ≡ − Λ = − = & & &

Shape

) , ( ) (

1 ' 11 ' 33 1 1

s h D D w w

p p

σ Λ = − = & & ) , ( ) (

2 ' 22 ' 33 2 2

s h D D w w

p p

σ Λ = − = & &

Orientation

) 3 , 2 , 1 (

) ( ) (

= = i n n

i i

ω &

M.Kailasam, N. Aravas, P. Ponte Castaneda CMES, Vol. 1, pp. 105-118 2000

  • N. Aravas a, P. Ponte Castaneda, Comput. Methods Appl. Mech. Engrg. 193 (2004) 3767–3805
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Models Comparison Models Comparison

Limitations: No contact area and coordination number evolution Symmetric yield surface, not appropriate for “powder” Limitations: Affine motion Stage II Compaction (RD>0.9) Stage I Compaction (RD<0.9) Ellipsoid voids with shape and

  • rientation

Contact area and coordination number “s” tensor “B” tensor Matrix with voids inside Interaction of particles

P&A Model P&A Model Fleck Fleck’ ’s Model s Model

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Conclusions Conclusions

A versatile version of the Drucker-Prager model was implemented in VUMAT of ABAQUS/Explicit. State of the art models of compaction predict densification but not post processing properties because of

  • Path dependence
  • Anisotropy
  • Brittle behavior of compacts

Fleck’s and P&A models were reviewed to check if they can address the weakness of Drucker-Prager model

  • Fleck’s model has major problems

Affine motion assumption; Cannot address low triaxialites cases; Predicts wrong anisotropy…

  • P&A model is not appropriate

No contact area and coordination number evolution; Symmetric yield surface, not appropriate for “powder”

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Framework of Future Work Framework of Future Work

FE Model FE Model Micromechanical Model Micromechanical Model Continuum mechanics Model Continuum mechanics Model

Stage I compaction Take into account of the anisotropy in microscopic level (“B” Tensor) Modify the assumption of “affine motion” Combine micromechanical model and continuum mechanics model Develop new model and implement it to VUMAT Study the modes of fracture during diametrical compaction of tablet with new model